Oxalic Acid

Oxalic Acid

SCHEMBL4774444

CCN1CCN(c2nc(-c3cncc(CCCOC)c3)cc3ccccc23)CC1.O=C(O)C(=O)O

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Oxalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
USP2 O75604 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 5/20 0.37
POLB P06746 1/20 0.37
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4771938 0.95 TSHR (0.43) TSHRSMN1; SMN2LMNAMAPTUSP2
SCHEMBL14103355 0.86 CYP1A2 (0.40) TSHRLMNAUSP2KDM4EMAPK1
Oxalic Acid SCHEMBL4770480 0.85 KDM4E (0.40) TSHRSMN1; SMN2LMNAUSP2KDM4E
Oxalic Acid SCHEMBL4775546 0.85 KDM4E (0.40) TSHRSMN1; SMN2LMNAMAPTUSP2
SCHEMBL4764498 0.84 SMN1; SMN2 (0.41) TSHRSMN1; SMN2LMNAMAPTKDM4E
Hydrochloric Acid SCHEMBL4774319 0.83 SMN1; SMN2 (0.41) TSHRSMN1; SMN2LMNAMAPTKDM4E
Oxalic Acid SCHEMBL4766439 0.81 SMN1; SMN2 (0.40) TSHRSMN1; SMN2LMNAUSP2KDM4E
SCHEMBL4770628 0.81 ROCK2 (0.41) TSHRSMN1; SMN2LMNAMAPTUSP2
SCHEMBL4771043 0.79 SMN1; SMN2 (0.41) TSHRSMN1; SMN2LMNAMAPTUSP2
SCHEMBL4771231 0.78 GRM5 (0.39) TSHRSMN1; SMN2LMNAMAPTUSP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 TSHR 1481/4885SMN1; SMN2 27/4885LMNA 1057/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 TSHR 962/4885SMN1; SMN2 37/4885LMNA 1917/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.